[5-ethyl-3-(2-methylprop-2-enyl)-2-phenylmethoxy-phenyl] 2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: [5-ethyl-3-(2-methylprop-2-enyl)-2-phenylmethoxy-phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [2-benzyloxy-5-ethyl-3-(2-methylallyl)phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [5-ethyl-3-(2-methylprop-2-enyl)-2-phenylmethoxyphenyl] ester IUPAC Name: [5-ethyl-3-(2-methylprop-2-enyl)-2-phenylmethoxyphenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [2-benzoxy-5-ethyl-3-(2-methylallyl)phenyl] ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3)CC(=C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3)CC(=C)C

InChI

InChI=1S/C28H28N2O3/c1-4-21-15-24(14-20(2)3)28(32-19-23-8-6-5-7-9-23)26(16-21)33-27(31)18-30-25-12-10-22(17-29)11-13-25/h5-13,15-16,30H,2,4,14,18-19H2,1,3H3